CAS RN: 89941-55-9
Methyl 3-(hydroxymethyl)cyclobutanecarboxylate
- Product code: SSC-202135
Verified Factory Data
Supply Overview & Packaging Options
Packaging options, recorded purity, stock quantity and ship-from location below are generated from the current factory data table for this CAS.
- Pack sizes on record: 1g, 5g, 10g, 25g, 0.25g, 0.1g
- Available purity: >95%
- Inventory rows with stock: 6
- Bulk packaging: confirmed by inquiry
Available Pack Sizes & Stock
Specific stock quantities are shown below. Price is not displayed online and is confirmed by inquiry.
| Pack Size | Recorded Purity | Available Qty | Ship From | Inquiry |
|---|---|---|---|---|
| 1g | >95% | 5 In Stock | Shanghai | Inquiry |
| 5g | >95% | 5 In Stock | Shenzhen | Inquiry |
| 10g | >95% | 5 In Stock | Shanghai | Inquiry |
| 25g | >95% | 5 In Stock | Hong Kong | Inquiry |
| 0.25g | >95% | 4 In Stock | Hong Kong | Inquiry |
| 0.1g | >95% | 2 In Stock | Hong Kong | Inquiry |
89941-55-9 / methyl 3-(hydroxymethyl)cyclobutane-1-carboxylate
Basic Information
CAS
89941-55-9
Multi CAS
No
Molecular Formula
C7H12O3
Molecular Weight
144.170000
Exact Mass
144.078644
InChI
InChI=1S/C7H12O3/c1-10-7(9)6-2-5(3-6)4-8/h5-6,8H,2-4H2,1H3
InChIKey
LQUXXSRNBCFGDV-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
10
Fraction Csp3
0.86
Rotatable bonds
2
H-bond acceptors
3
H-bond donors
1
Molar refractivity
35.32
TPSA
46.53
LogP / Solubility
WLOGP
0.18
MLOGP
0.15
XLogP3
0.1
Consensus LogP
0.14
Log S (ESOL)
-0.71
Class (ESOL)
Very soluble
Log S (Ali)
-0.87
Class (Ali)
Very soluble
Log S (SILICOS-IT)
-0.98
Class (SILICOS-IT)
Very soluble
ADME
GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-3.47
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
1.5
